HRID1571495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID817090

2-Bromo-3,5-dichloropyridine

C5H2BrCl2N

结构：COC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc(Cl)c(OCc3ccc(OC)cc3)c2)n1

HCID66841210

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ncc(Cl)cc2Cl)c(-c2ccc(Cl)c(OCc3ccc(OC)cc3)c2)n1

HCID66841216

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75eee6d563054ebf8d19faa3b97620cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:37][c:38]1[n:39][cH:40][c:41]([Cl:45])[cH:42][c:43]1[Cl:44].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[cH:10][c:11](-[c:16]3[c:17]([B:26]4[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]4)[cH:18][cH:19][c:20]([C:22](=[O:23])[O:24][CH3:25])[n:21]3)[cH:12][cH:13][c:14]2[Cl:15])[cH:35][cH:36]1.[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[K+:53].[K+:54].[O-:55][C:56]([O-:57])=[O:58].[OH2:52].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][c:9]2[cH:10][c:11](-[c:16]3[c:17](-[c:38]4[n:39][cH:40][c:41]([Cl:45])[cH:42][c:43]4[Cl:44])[cH:18][cH:19][c:20]([C:22](=[O:23])[O:24][CH3:25])[n:21]3)[cH:12][cH:13][c:14]2[Cl:15])[cH:35][cH:36]1